Geometry & MOs

Info

ID:

114905

PubChem CID:

50501649

Reduced:

ClN5O5C32H42 (1)

Stoich.:

AB5C5D32E42 (1)

Weight, g/mol:

597.271797

ΔHf, kcal/mol:

-209.48

Dipole, Da:

6.27

IP(EA), eV:

 -8.62(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-methoxy-4-(propanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C(C)C)OC)Cl

DOS

IR

Vibrations